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Basic information
- Standard SMILES
O=C(O)c1ncn2c(C(F)F)cc(-c3ccc(C(F)(F)F)cc3)nc12- InChIKey
AMUHZGFRDZGHHQ-UHFFFAOYSA-N- Molecular formula
- C15H8F5N3O2
- Average molar mass
- 357.23 g/mol
Names & identifiers
- Preferred name
- 4-Difluoromethyl-2-(4-trifluoromethyl-phenyl)-imidazo[1,5-a]pyrimidine-8-carboxylic acid
- IUPAC
- 4-(difluoromethyl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine-8-carboxylic acid
Names & synonyms
4-difluoromethyl-2-(4-trifluoromethyl-phenyl)-imidazo[1,5-a]pyrimidine-8-carboxylic acidSCHEMBL1348829
Database identifiers
- PubChem CID
- 67001031
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 496
Related reactions
5 records
Compound notes
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